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MUN91789

CAT: 0498-bs-7045C-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0498-bs-7045C-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2144491-78-9
Conjugation
Unconjugated
Purity
98
Buffer
Powder
Solubility
Soluble in DMSO
Smiles
CC(C)(C)C1=CC=C(C=C1)N(C(C1=CC=CN=C1)C(=O)NC1CCCCC1)C(=O)C1=CN=CN1
Molecular Formula
C27 H33 N5 O2
Molecular Weight
459.58
InChI
InChI=1S/C27H33N5O2/c1-27 (2,3) 20-11-13-22 (14-12-20) 32 (26 (34) 23-17-29-18-30-23) 24 (19-8-7-15-28-16-19) 25 (33) 31-21-9-5-4-6-10-21/h7-8,11-18,21,24H,4-6,9-10H2,1-3H3, (H,29,30) (H,31,33)
Storage Conditions
Store in dry, dark place at -20C for 1 year.
Shelf Life
1 year
Appearance
Solid Power.

Chemical Information

N-(4-(tert-Butyl)phenyl)-N-(2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl)-1H-imidazole-4-carboxamide
CAS Number2144491-78-9
PubChem CID132058207
IUPAC NameN-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide
Molecular FormulaC27H33N5O2
Molecular Weight459.6
XLogP4.9
Topological Polar Surface Area91
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity679
SMILES
CC(C)(C)C1=CC=C(C=C1)N(C(C2=CN=CC=C2)C(=O)NC3CCCCC3)C(=O)C4=CN=CN4
InChI
InChI=1S/C27H33N5O2/c1-27(2,3)20-11-13-22(14-12-20)32(26(34)23-17-29-18-30-23)24(19-8-7-15-28-16-19)25(33)31-21-9-5-4-6-10-21/h7-8,11-18,21,24H,4-6,9-10H2,1-3H3,(H,29,30)(H,31,33)
InChIKey
MUNFBYOTGGMQOS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-(tert-Butyl)phenyl)-N-(2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl)-1H-imidazole-4-carboxamide
CAS: 2144491-78-9
CID: 132058207
Formula: C27H33N5O2
MW: 459.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight459.6
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass459.26342531
Monoisotopic Mass459.26342531
Topological Polar Surface Area91 Ų
Heavy Atom Count34
Formal Charge0
Complexity679
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
555842MUN91789

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